CID 386038

Nsc677604

Structural Information

Molecular Formula
C22H14N4O3
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)OC4=NN=NN4C5=CC=CC=C5
InChI
InChI=1S/C22H14N4O3/c27-19-14-20(15-7-3-1-4-8-15)29-21-13-17(11-12-18(19)21)28-22-23-24-25-26(22)16-9-5-2-6-10-16/h1-14H
InChIKey
AVXWNBOPCKZEEY-UHFFFAOYSA-N
Compound name
2-phenyl-7-(1-phenyltetrazol-5-yl)oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.1066 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.11388 190.0
[M+Na]+ 405.09582 201.3
[M-H]- 381.09932 200.1
[M+NH4]+ 400.14042 196.5
[M+K]+ 421.06976 194.8
[M+H-H2O]+ 365.10386 176.8
[M+HCOO]- 427.10480 209.6
[M+CH3COO]- 441.12045 200.3
[M+Na-2H]- 403.08127 196.0
[M]+ 382.10605 194.2
[M]- 382.10715 194.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.